Multisliced gausslet basis sets for electronic structure
نویسندگان
چکیده
منابع مشابه
An introductory guide to Gaussian basis sets in solid - state electronic structure calculations
The purpose of these notes is to provide some insight into Gaussian basis set technology as implemented in the CRYSTAL Hartree-Fock/density functional theory program for periodic systems. Essential differences between basis sets appropriate for use in solids and those used in purely molecular codes are explained. Examples of how to choose appropriate basis sets for particular problems, hints on...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2019
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.99.081110